HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 519902Generated: October 26, 2026
Hydrochloric Acid → Ethyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxohexanoate
https://huagongshe.com/reaction/519902
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Ethyl 3-oxohexanoate | HCID 238498 | — |
| Reactant | 4'-(Bromomethyl)-3'-fluorobiphenyl-2-carbonitrile | HCID 57460074 | — |
| Solvent | (Trifluoromethyl)benzene | HCID 7368 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Ethyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxohexanoate | HCID 57460949 | 76% |
Reaction Steps
To a suspension of sodium hydride (60% in oil, 25 g) in tetrahydrofuran (750 mL) was added dropwise a solution of ethyl 3-oxohexanoate (164 g) in tetrahydrofuran (250 mL) at 0° C. The reaction mixture was stirred at room temperature for 1 hr, and a solution of 4′-(bromomethyl)-3′-fluorobiphenyl-2-carbonitrile in benzotrifluoride above mentioned was added at 0° C. The reaction mixture was further stirred at room temperature for 16 hr, and added to 1 M hydrochloric acid (1.0 L), and the obtained mixture was concentrated under reduced pressure. The obtained mixture was extracted with ethyl acetate, and the obtained extract was washed with saturated brine and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure and the obtained residue was purified by silica gel column chromatography to give the title compound as a colorless oil (145 g, 76%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09115136B2 |
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| Source dataset | uspto-grants-2015_08 |
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| ORD ID | ord-df490aa2dfe148e5a8ebc3ba5c3aa0ff |
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| Source note | uspto-grants-2015_08 |
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